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alanine, N-benzoyl-2-[[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-3,3,3-trifluoro-, methyl ester

View entire compound with spectra: 1 NMR

alanine, N-benzoyl-2-[[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-3,3,3-trifluoro-, methyl ester
SpectraBase Compound ID GfIDsCkADDu
InChI InChI=1S/C24H26F3N3O3S/c1-22(2,3)15-10-11-16-17(13-28)20(34-18(16)12-15)30-23(21(32)33-4,24(25,26)27)29-19(31)14-8-6-5-7-9-14/h5-9,15,30H,10-12H2,1-4H3,(H,29,31)
InChIKey OZAOSKACZKBUBJ-UHFFFAOYSA-N
Mol Weight 493.55 g/mol
Molecular Formula C24H26F3N3O3S
Exact Mass 493.164697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EIv2MBYguXI
Name alanine, N-benzoyl-2-[[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-3,3,3-trifluoro-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.164697369 u
Formula C24H26F3N3O3S
InChI InChI=1S/C24H26F3N3O3S/c1-22(2,3)15-10-11-16-17(13-28)20(34-18(16)12-15)30-23(21(32)33-4,24(25,26)27)29-19(31)14-8-6-5-7-9-14/h5-9,15,30H,10-12H2,1-4H3,(H,29,31)
InChIKey OZAOSKACZKBUBJ-UHFFFAOYSA-N
Molecular Weight 493.545 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12225
Solvent DMSO-d6
Source Vendor ID: NMR/10260786; Lab Info: AU; Lab Number: AU-0000113